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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
90621
Molecular Scaffold
dnfH@FAJ[TpjijjjlbYJP@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@H]1O[C@@H]2[C@]3(C)N[C@@H]3[C@@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-3-4-5-7(2,8-5)6(4)9-3/h3-6,8H,1-2H3/t3-,4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HOOMFNAMNVVNRB-NEVCITSRSA-N